Home Halogens [(4-chlorophenyl)methyl][2-(pyrrolidin-1-yl)ethyl]amine dihydrochloride

[(4-chlorophenyl)methyl][2-(pyrrolidin-1-yl)ethyl]amine dihydrochloride

CAS No.:
105479-11-6
Catalog Number:
AG01AGJM
Molecular Formula:
C13H21Cl3N2
Molecular Weight:
311.6782
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Product Description
Catalog Number:
AG01AGJM
Chemical Name:
[(4-chlorophenyl)methyl][2-(pyrrolidin-1-yl)ethyl]amine dihydrochloride
CAS Number:
105479-11-6
Molecular Formula:
C13H21Cl3N2
Molecular Weight:
311.6782
MDL Number:
MFCD18089447
IUPAC Name:
N-[(4-chlorophenyl)methyl]-2-pyrrolidin-1-ylethanamine;dihydrochloride
InChI:
InChI=1S/C13H19ClN2.2ClH/c14-13-5-3-12(4-6-13)11-15-7-10-16-8-1-2-9-16;;/h3-6,15H,1-2,7-11H2;2*1H
InChI Key:
ZQIYFXWOMKTQCJ-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)CNCCN1CCCC1.Cl.Cl
Properties
Complexity:
184  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.077g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
311.675g/mol
Monoisotopic Mass:
310.077g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties